2-(3-methoxypropylamino)-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid

Systemtic Name: 2-(3-methoxypropylamino)-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]ethanoic acid Openeye Name: 2-(3-methoxypropylamino)-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid CAS Name: 2-(3-methoxypropylamino)-2-[5-[(2-methyl-1-oxopropyl)amino]-1H-indol-3-yl]acetic acid IUPAC Name: 2-(3-methoxypropylamino)-2-[5-(2-methylpropanoylamino)-1H-indol-3-yl]acetic acid Traditional Name: 2-[5-(isobutyrylamino)-1H-indol-3-yl]-2-(3-methoxypropylamino)acetic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)NCCCOC

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)NC=C2C(C(=O)O)NCCCOC

InChI

InChI=1S/C18H25N3O4/c1-11(2)17(22)21-12-5-6-15-13(9-12)14(10-20-15)16(18(23)24)19-7-4-8-25-3/h5-6,9-11,16,19-20H,4,7-8H2,1-3H3,(H,21,22)(H,23,24)